[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone

C19H23N3O3 — CID 762220

IUPAC[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-24-17-6-5-15(12-18(17)25-2)14-21-8-10-22(11-9-21)19(23)16-4-3-7-20-13-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyUBPNKBGMZJBOGW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.06
Rot. Bonds5

About [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone

[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 762220) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID762220
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-24-17-6-5-15(12-18(17)25-2)14-21-8-10-22(11-9-21)19(23)16-4-3-7-20-13-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyUBPNKBGMZJBOGW-UHFFFAOYSA-N
XLogP2.06
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone (CID 762220) is [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone is COc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)cc1OC.
What is the InChIKey of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is UBPNKBGMZJBOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-6-5-15(12-18(17)25-2)14-21-8-10-22(11-9-21)19(23)16-4-3-7-20-13-16/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 762220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).